Geometry & MOs

Info

ID:	31557
PubChem CID:	855867
Reduced:	ClON5H12C15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	321.122575
ΔH_f, kcal/mol:	81.95
Dipole, Da:	3.37
IP(EA), eV:	-9.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations